ethyl 4-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-fluorobenzyl)oxy-3-methoxy-phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H25FN2O4S MolecularWeight: 492.561803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H25FN2O4S/c1-3-33-26(31)23-24(17-9-5-4-6-10-17)29-27(35)30-25(23)18-13-14-21(22(15-18)32-2)34-16-19-11-7-8-12-20(19)28/h4-15,25H,3,16H2,1-2H3,(H2,29,30,35)